DDR1-IN-1 2mg

CAT: 0628-A13985-2Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0628-A13985-2Size:2 mg

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CAS Number

1449685-96-4

Chemical Information

Ddr1-IN-1

DDR1-IN-1 is a secondary carboxamide resulting from the formal condensation of the carboxy group of 4-[(4-ethylpiperazin-1-yl)methyl]-3-(trifluoromethyl)benzoic acid with the amino group of 5-(5-amino-2-methylphenoxy)-1,3-dihydro-2H-indol-2-one. It is a potent inhibitor of discoidin domain receptor tyrosine kinase 1 and 2 (DDR1/2) with IC50 = 105 nM and 413 nM, respectively. It has a role as an EC 2.7.10.1 (receptor protein-tyrosine kinase) inhibitor. It is a secondary carboxamide, a member of benzamides, an aromatic ether, a member of oxindoles, a N-alkylpiperazine and a member of (trifluoromethyl)benzenes.

CAS Number	1449685-96-4
PubChem CID	72836888
IUPAC Name	4-[(4-ethylpiperazin-1-yl)methyl]-N-[4-methyl-3-[(2-oxo-1,3-dihydroindol-5-yl)oxy]phenyl]-3-(trifluoromethyl)benzamide
Molecular Formula	C30H31F3N4O3
Molecular Weight	552.6
XLogP	4.4
Topological Polar Surface Area	73.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Heavy Atom Count	40
Formal Charge	0
Complexity	881

SMILES

CCN1CCN(CC1)CC2=C(C=C(C=C2)C(=O)NC3=CC(=C(C=C3)C)OC4=CC5=C(C=C4)NC(=O)C5)C(F)(F)F

InChI

InChI=1S/C30H31F3N4O3/c1-3-36-10-12-37(13-11-36)18-21-6-5-20(15-25(21)30(31,32)33)29(39)34-23-7-4-19(2)27(17-23)40-24-8-9-26-22(14-24)16-28(38)35-26/h4-9,14-15,17H,3,10-13,16,18H2,1-2H3,(H,34,39)(H,35,38)

InChIKey

AOZPVMOOEJAZGK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1449685-96-4

CID: 72836888

Formula: C30H31F3N4O3

MW: 552.6

Interactive 3D Structure

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Computed Properties

Property	Value
Molecular Weight	552.6
XLogP3	4.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	7
Exact Mass	552.23482535
Monoisotopic Mass	552.23482535
Topological Polar Surface Area	73.9 Å²
Heavy Atom Count	40
Formal Charge	0
Complexity	881
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Related Products

Catalog	Name
A12955-2	DDR-TRK-1 2mg
A13985-10	DDR1-IN-1 10mg
A13985-200	DDR1-IN-1 200mg
A13985-25	DDR1-IN-1 25mg
A13985-100	DDR1-IN-1 100mg
A13985-50	DDR1-IN-1 50mg
A13985-5	DDR1-IN-1 5mg
A21813-10	DDR1-IN-1 dihydrochloride 10mg
A21813-5	DDR1-IN-1 dihydrochloride 5mg
A21813-1	DDR1-IN-1 dihydrochloride 1mg

Alternative Products

Catalog	Name
B1331-5	DDR1-IN-1
FWC30376-01	DDR1-IN-1 dihydrochloride
T207506-01	DDR1 ligand 1

DDR1-IN-1 2mg

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